2-(4-fluoro-2-methylphenyl)-4-[(2-hydroxyacetyl)amino]piperidine-1-carboxamide

C15H20FN3O3 — CID 69465453

IUPAC2-(4-fluoro-2-methylphenyl)-4-[(2-hydroxyacetyl)amino]piperidine-1-carboxamide
SMILESCc1cc(F)ccc1C1CC(NC(=O)CO)CCN1C(N)=O
InChIInChI=1S/C15H20FN3O3/c1-9-6-10(16)2-3-12(9)13-7-11(18-14(21)8-20)4-5-19(13)15(17)22/h2-3,6,11,13,20H,4-5,7-8H2,1H3,(H2,17,22)(H,18,21)
InChIKeyLYOCMMCNOOJOHZ-UHFFFAOYSA-N
MW309.34 g/mol
LogP0.83
Rot. Bonds3

About 2-(4-fluoro-2-methylphenyl)-4-[(2-hydroxyacetyl)amino]piperidine-1-carboxamide

2-(4-fluoro-2-methylphenyl)-4-[(2-hydroxyacetyl)amino]piperidine-1-carboxamide (PubChem CID 69465453) has the molecular formula C15H20FN3O3 and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-4-[(2-hydroxyacetyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-4-[(2-hydroxyacetyl)amino]piperidine-1-carboxamide
PubChem CID69465453
Molecular FormulaC15H20FN3O3
Molecular Weight309.34 g/mol
Exact Mass309.15
IUPAC Name2-(4-fluoro-2-methylphenyl)-4-[(2-hydroxyacetyl)amino]piperidine-1-carboxamide
SMILESCc1cc(F)ccc1C1CC(NC(=O)CO)CCN1C(N)=O
InChIInChI=1S/C15H20FN3O3/c1-9-6-10(16)2-3-12(9)13-7-11(18-14(21)8-20)4-5-19(13)15(17)22/h2-3,6,11,13,20H,4-5,7-8H2,1H3,(H2,17,22)(H,18,21)
InChIKeyLYOCMMCNOOJOHZ-UHFFFAOYSA-N
XLogP0.83
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Ethylpiperidin-4-yl)-3-(4-fluorobenzyl)-1-(1-(2-hydroxyethyl)piperidin-4-yl)urea
CID 46884512
4-(2-Methoxy-acetylamino)-piperidine-1-carboxylic acid benzylamide
CID 654664
N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]-2-methoxyacetamide
CID 134800813
2-(hydroxymethyl)-N-(1-phenylethyl)piperidine-1-carboxamide
CID 172434606
4-Acetyl-N-[(1R)-1-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 34666180
N-[1-(2-fluorobenzyl)-3-piperidinyl]-2-methoxyacetamide
CID 45224494
3-[3-(2,6-Dimethylmorpholin-4-yl)-3-oxopropyl]-1-ethyl-1-[1-(4-fluorophenyl)ethyl]urea
CID 47066740
2-[2-(acetylamino)ethyl]-N-(2-fluorobenzyl)-1-piperidinecarboxamide
CID 56885032
N-(2-fluorobenzyl)-N-(2-hydroxyethyl)-N'-[(1-isobutyrylpiperidin-4-yl)methyl]urea
CID 121496180
(6S)-4-acetyl-N-[(5-fluoro-2-methylphenyl)methyl]-6-hydroxy-1,4-diazepane-1-carboxamide
CID 126450600
1-N-[(1S)-1-(2-fluorophenyl)propyl]-4-hydroxypiperidine-1,4-dicarboxamide
CID 138029688
2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(2-hydroxyacetyl)piperidin-3-yl]acetamide
CID 84597675

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-4-[(2-hydroxyacetyl)amino]piperidine-1-carboxamide?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-4-[(2-hydroxyacetyl)amino]piperidine-1-carboxamide (CID 69465453) is 2-(4-fluoro-2-methylphenyl)-4-[(2-hydroxyacetyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-4-[(2-hydroxyacetyl)amino]piperidine-1-carboxamide?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-4-[(2-hydroxyacetyl)amino]piperidine-1-carboxamide is Cc1cc(F)ccc1C1CC(NC(=O)CO)CCN1C(N)=O.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-4-[(2-hydroxyacetyl)amino]piperidine-1-carboxamide?
The InChIKey is LYOCMMCNOOJOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O3/c1-9-6-10(16)2-3-12(9)13-7-11(18-14(21)8-20)4-5-19(13)15(17)22/h2-3,6,11,13,20H,4-5,7-8H2,1H3,(H2,17,22)(H,18,21).
What are the key properties of 2-(4-fluoro-2-methylphenyl)-4-[(2-hydroxyacetyl)amino]piperidine-1-carboxamide?
2-(4-fluoro-2-methylphenyl)-4-[(2-hydroxyacetyl)amino]piperidine-1-carboxamide has a molecular weight of 309.34 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-4-[(2-hydroxyacetyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 69465453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).